1,4-dioxacyclodocosa-10,17-diene-8,19-dione

C20H32O4 — CID 90846625

IUPAC1,4-dioxacyclodocosa-10,17-diene-8,19-dione
SMILESO=C1C=CCCCCCC=CCC(=O)CCCOCCOCCC1
InChIInChI=1S/C20H32O4/c21-19-11-7-5-3-1-2-4-6-8-12-20(22)14-10-16-24-18-17-23-15-9-13-19/h5,7-8,12H,1-4,6,9-11,13-18H2
InChIKeyTXWRIWVWHIEVGL-UHFFFAOYSA-N
MW336.47 g/mol
LogP4.18
Rot. Bonds

About 1,4-dioxacyclodocosa-10,17-diene-8,19-dione

1,4-dioxacyclodocosa-10,17-diene-8,19-dione (PubChem CID 90846625) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 1,4-dioxacyclodocosa-10,17-diene-8,19-dione.

Molecular Properties

Compound Name1,4-dioxacyclodocosa-10,17-diene-8,19-dione
PubChem CID90846625
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name1,4-dioxacyclodocosa-10,17-diene-8,19-dione
SMILESO=C1C=CCCCCCC=CCC(=O)CCCOCCOCCC1
InChIInChI=1S/C20H32O4/c21-19-11-7-5-3-1-2-4-6-8-12-20(22)14-10-16-24-18-17-23-15-9-13-19/h5,7-8,12H,1-4,6,9-11,13-18H2
InChIKeyTXWRIWVWHIEVGL-UHFFFAOYSA-N
XLogP4.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione
CID 10193184
(9E,17E)-13-methyl-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
CID 10193612
(9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
CID 10308363
(9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
CID 10308748
13-Methyl-1,4-dioxacyclodocosa-10,17-diene-8,19-dione
CID 90796572
1,4-Dioxacycloicosa-10,15-diene-8,17-dione
CID 90880672
1,4-Dioxacyclononadeca-10,13-diene-8,16-dione
CID 91346795
11-Methyl-1,4-dioxacyclononadeca-10,13-diene-8,16-dione
CID 91364995
carbon dioxide;(7Z,10Z,13Z,16Z,19Z,22Z)-1-[(E)-4-oxohept-5-enoxy]pentacosa-7,10,13,16,19,22-hexaen-4-one
CID 157311326
(9Z,14Z)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
CID 23567718
(7Z,10Z,13Z,16Z,19Z,22Z)-1-[(E)-4-oxohept-5-enoxy]pentacosa-7,10,13,16,19,22-hexaen-4-one
CID 157311327

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxacyclodocosa-10,17-diene-8,19-dione?
The IUPAC name of 1,4-dioxacyclodocosa-10,17-diene-8,19-dione (CID 90846625) is 1,4-dioxacyclodocosa-10,17-diene-8,19-dione.
What is the SMILES notation for 1,4-dioxacyclodocosa-10,17-diene-8,19-dione?
The canonical SMILES for 1,4-dioxacyclodocosa-10,17-diene-8,19-dione is O=C1C=CCCCCCC=CCC(=O)CCCOCCOCCC1.
What is the InChIKey of 1,4-dioxacyclodocosa-10,17-diene-8,19-dione?
The InChIKey is TXWRIWVWHIEVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c21-19-11-7-5-3-1-2-4-6-8-12-20(22)14-10-16-24-18-17-23-15-9-13-19/h5,7-8,12H,1-4,6,9-11,13-18H2.
What are the key properties of 1,4-dioxacyclodocosa-10,17-diene-8,19-dione?
1,4-dioxacyclodocosa-10,17-diene-8,19-dione has a molecular weight of 336.47 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxacyclodocosa-10,17-diene-8,19-dione is sourced from PubChem (CID 90846625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).